SCHEMBL8628519

SCHEMBL8628519

CCCCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.66
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
NCOR2 Q9Y618 2/20 0.54
OPRM1 P35372 3/20 0.54
DRD3 P35462 3/20 0.54
DRD2 P14416 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
MAPT P10636 1/20 0.52
MAOB P27338 1/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7167397 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11816138 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7231682 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8086700 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11097968 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15933358 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11094954 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11818106 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL5907917 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8
Bromide SCHEMBL28674611 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US claimed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US claimed
US-3966594-A SOLVENT EXTRACTION WITH TERTIERY AMINE AND ALKALI SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 US claimed
EP-0276501-B2 Thickening compositions and thickened aqueous acid solutions AKZO NOBEL NV (NL) 1998-06-17 EP disclosed
US-5041239-A Premix compositions for the preparation of thickened aqueous acid solutions AKZO N. V. (NL) 1991-08-20 US disclosed
US-4853146-A Thickening compositions and thickened aqueous acid solutions AKZO N.V. (NL) 1989-08-01 US disclosed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US disclosed
US-3966594-A SOLVENT EXTRACTION WITH TERTIERY AMINE AND ALKALI SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 US disclosed